CID 193974

Cilutazoline

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=CC(=C(C=C1)C2CC2)OCC3=NCCN3
InChI
InChI=1S/C14H18N2O/c1-10-2-5-12(11-3-4-11)13(8-10)17-9-14-15-6-7-16-14/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,16)
InChIKey
JJFSSNDOOJCPLD-UHFFFAOYSA-N
Compound name
2-[(2-cyclopropyl-5-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

230.1419 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 154.3
[M+Na]+ 253.13112 163.2
[M-H]- 229.13462 160.5
[M+NH4]+ 248.17572 165.9
[M+K]+ 269.10506 157.9
[M+H-H2O]+ 213.13916 145.9
[M+HCOO]- 275.14010 174.7
[M+CH3COO]- 289.15575 165.7
[M+Na-2H]- 251.11657 157.1
[M]+ 230.14135 155.1
[M]- 230.14245 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.